1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide

C23H28N6O3 — CID 656301

IUPAC1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C23H28N6O3/c1-31-18-9-7-16(8-10-18)15-29-23(25-26-27-29)21(19-5-3-4-6-20(19)32-2)28-13-11-17(12-14-28)22(24)30/h3-10,17,21H,11-15H2,1-2H3,(H2,24,30)
InChIKeyUMSGRGKOKJXRRL-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.03
Rot. Bonds8

About 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide

1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 656301) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID656301
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C23H28N6O3/c1-31-18-9-7-16(8-10-18)15-29-23(25-26-27-29)21(19-5-3-4-6-20(19)32-2)28-13-11-17(12-14-28)22(24)30/h3-10,17,21H,11-15H2,1-2H3,(H2,24,30)
InChIKeyUMSGRGKOKJXRRL-UHFFFAOYSA-N
XLogP2.03
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10547681
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-(2-methoxybenzyl)acetamide
CID 23723238
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 645765
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,4-dimethoxy-phenyl)-methyl]-4-methyl-piperidine
CID 646517
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-Benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209195
1-[1-[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209951
1-{(2-Chloro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
CID 3210027
1-[1-[1-(1,3-Benzodioxol-5-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210158
1-[(2-Methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-azepane
CID 3229264
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602633

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide (CID 656301) is 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(Cn2nnnc2C(c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is UMSGRGKOKJXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-31-18-9-7-16(8-10-18)15-29-23(25-26-27-29)21(19-5-3-4-6-20(19)32-2)28-13-11-17(12-14-28)22(24)30/h3-10,17,21H,11-15H2,1-2H3,(H2,24,30).
What are the key properties of 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide?
1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 656301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).